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CAS 4456-77-3

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isoquinoline-1,3(2H,4H)-dione

Description:
Isoquinoline-1,3(2H,4H)-dione, also known as 1,3-dioxoisoquinoline, is a heterocyclic organic compound characterized by its isoquinoline structure, which consists of a fused benzene and pyridine ring. This compound features two carbonyl (C=O) groups at the 1 and 3 positions of the isoquinoline ring, contributing to its diketone nature. Isoquinoline-1,3(2H,4H)-dione is typically a crystalline solid, exhibiting moderate solubility in polar solvents due to the presence of the carbonyl groups, which can engage in hydrogen bonding. It is of interest in various fields, including medicinal chemistry, due to its potential biological activities, such as antimicrobial and anticancer properties. The compound's reactivity is influenced by the electron-withdrawing nature of the carbonyl groups, making it a versatile intermediate in organic synthesis. Additionally, its structural features allow for various chemical modifications, which can lead to the development of novel derivatives with enhanced pharmacological profiles.
Formula:C9H7NO2
InChI:InChI=1/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h1-4H,5H2,(H,10,11,12)
SMILES:c1ccc2c(c1)CC(=NC2=O)O
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